mordred.EccentricConnectivityIndex module¶

class mordred.EccentricConnectivityIndex.EccentricConnectivityIndex[source]¶

Bases: mordred._base.descriptor.Descriptor

eccentric connectivity index descriptor.

\[I_{\rm EC} = \sum^A_i {\boldsymbol E}{\boldsymbol V}\]

where \(E\) is eccentricity of atoms, \(V\) is valences of atoms.

explicit_hydrogens = False¶

parameters()[source]¶

rtype¶

alias of int

as_argument¶

argument representation of descriptor

coord¶

get 3D coordinate

fail(exception)¶

raise known exception and return missing value

kekulize = False¶

mol¶

get molecule

require_3D = False¶

require_connected = False¶

rethrow_na(exception)¶

treat any exceptions as known exception

rethrow_zerodiv()¶

treat zero div as known exception